2,4,6-Triethyl-1,3,5-dithiazinane
PubChem CID: 547350
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| Compound Synonyms | 2,4,6-Triethyl-1,3,5-dithiazinane, 54717-17-8, UNII-9PHT7XFK4F, 9PHT7XFK4F, 4H-1,3,5-Dithiazine, 2,4,6-triethyldihydro-, Dihydro-2,4,6-triethyl-1,3,5(4H)-dithiazine, TRIETHYLTHIALDINE, FEMA NO. 4748, DTXSID10338184, 2,4,6-Triethyl tetrahydro-1,3,5-dithiazine, 5,6-Dihydro-2,4,6-triethyl-4H-1,3,5-dithiazine, SCHEMBL4946971, DTXCID40289271, AKOS040768825, 2,4,6-Triethyl-1,3,5-dithiazinane #, NS00120005, 5,6-Dihydro-2,4,6-triethyl-(4H)1,3,5-dithiazine, Q27272869, 5,6-dihydro-2,4,6-triethyl-(4h)-1,3,5-dithiazine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCNCCC))SCS6)CC |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Azacyclic compounds |
| Scaffold Graph Node Level | C1NCSCS1 |
| Classyfire Subclass | Dithiazinanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 118.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4,6-triethyl-1,3,5-dithiazinane |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H19NS2 |
| Scaffold Graph Node Bond Level | C1NCSCS1 |
| Inchi Key | AANIECMHWBXFCP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 5,6-dihydro-2,4,6-triethyl-4h-1,3,5-dithiazine |
| Esol Class | Soluble |
| Functional Groups | CC1NC(C)SC(C)S1 |
| Compound Name | 2,4,6-Triethyl-1,3,5-dithiazinane |
| Exact Mass | 205.096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.096 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 205.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H19NS2/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-10H,4-6H2,1-3H3 |
| Smiles | CCC1NC(SC(S1)CC)CC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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